methyl 4-[butyl(methyl)amino]-3-[(4-chloranyl-3-methyl-phenyl)carbamothioylamino]benzoate

Systemtic Name: methyl 4-[butyl(methyl)amino]-3-[(4-chloranyl-3-methyl-phenyl)carbamothioylamino]benzoate Openeye Name: methyl 4-[butyl(methyl)amino]-3-[(4-chloro-3-methyl-phenyl)carbamothioylamino]benzoate CAS Name: 4-[butyl(methyl)amino]-3-[[(4-chloro-3-methylanilino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[butyl(methyl)amino]-3-[(4-chloro-3-methylphenyl)carbamothioylamino]benzoate Traditional Name: 4-[butyl(methyl)amino]-3-[(4-chloro-3-methyl-phenyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C21H26ClN3O2S MolecularWeight: 419.96804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C1=C(C=C(C=C1)C(=O)OC)NC(=S)NC2=CC(=C(C=C2)Cl)C

Isomeric SMILES

CCCCN(C)C1=C(C=C(C=C1)C(=O)OC)NC(=S)NC2=CC(=C(C=C2)Cl)C

InChI

InChI=1S/C21H26ClN3O2S/c1-5-6-11-25(3)19-10-7-15(20(26)27-4)13-18(19)24-21(28)23-16-8-9-17(22)14(2)12-16/h7-10,12-13H,5-6,11H2,1-4H3,(H2,23,24,28)